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Name | Proteinase-activated receptor 2 |
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Species | Homo sapiens (Human) |
Gene | F2RL1 |
Synonym | Protease-activated receptor-2 PAR2 PAR-2 GPR11 G-protein coupled receptor 11 [ Show all ] |
Disease | N/A |
Length | 397 |
Amino acid sequence | MRSPSAAWLLGAAILLAASLSCSGTIQGTNRSSKGRSLIGKVDGTSHVTGKGVTVETVFSVDEFSASVLTGKLTTVFLPIVYTIVFVVGLPSNGMALWVFLFRTKKKHPAVIYMANLALADLLSVIWFPLKIAYHIHGNNWIYGEALCNVLIGFFYGNMYCSILFMTCLSVQRYWVIVNPMGHSRKKANIAIGISLAIWLLILLVTIPLYVVKQTIFIPALNITTCHDVLPEQLLVGDMFNYFLSLAIGVFLFPAFLTASAYVLMIRMLRSSAMDENSEKKRKRAIKLIVTVLAMYLICFTPSNLLLVVHYFLIKSQGQSHVYALYIVALCLSTLNSCIDPFVYYFVSHDFRDHAKNALLCRSVRTVKQMQVSLTSKKHSRKSSSYSSSSTTVKTSY |
UniProt | P55085 |
Protein Data Bank | 5ndz, 5ndd |
GPCR-HGmod model | P55085 |
3D structure model | This structure is from PDB ID 5ndz. |
BioLiP | BL0377325, BL0377326 |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL5963 |
IUPHAR | 348 |
DrugBank | N/A |
Name | CHEMBL398128 |
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Molecular formula | C41H66N10O7S |
IUPAC name | N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide |
Molecular weight | 843.102 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 9 |
XlogP | 4.3 |
Synonyms | BDBM50440856 |
Inchi Key | KRZOJYXLFVJWEZ-RARZTAELSA-N |
Inchi ID | InChI=1S/C41H66N10O7S/c1-9-24(7)33(35(42)53)50-37(55)28(18-22(3)4)48-36(54)27(15-13-17-45-41(43)44)47-32(52)21-46-40(58)34(25(8)10-2)51-38(56)29(19-23(5)6)49-39(57)31-20-26-14-11-12-16-30(26)59-31/h11-12,14,16,20,22-25,27-29,33-34H,9-10,13,15,17-19,21H2,1-8H3,(H2,42,53)(H,46,58)(H,47,52)(H,48,54)(H,49,57)(H,50,55)(H,51,56)(H4,43,44,45)/t24-,25-,27-,28-,29-,33-,34-/m0/s1 |
PubChem CID | 44433905 |
ChEMBL | CHEMBL398128 |
IUPHAR | N/A |
BindingDB | 50440856 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
EC50 | 100.0 nM | PMID23895492 | BindingDB,ChEMBL |
EC50 | 370.0 nM | PMID17765542 | ChEMBL |
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